N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

C19H27FN6O2 — CID 165385538

IUPACN-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCCc1nn(C)cc1Nc1ncc(F)c(OCC2CCC(NC(C)=O)CC2)n1
InChIInChI=1S/C19H27FN6O2/c1-4-16-17(10-26(3)25-16)23-19-21-9-15(20)18(24-19)28-11-13-5-7-14(8-6-13)22-12(2)27/h9-10,13-14H,4-8,11H2,1-3H3,(H,22,27)(H,21,23,24)
InChIKeyYIYNZFVSUWWQLJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.73
Rot. Bonds7

About N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide

N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (PubChem CID 165385538) has the molecular formula C19H27FN6O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
PubChem CID165385538
Molecular FormulaC19H27FN6O2
Molecular Weight390.46 g/mol
Exact Mass390.22
IUPAC NameN-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
SMILESCCc1nn(C)cc1Nc1ncc(F)c(OCC2CCC(NC(C)=O)CC2)n1
InChIInChI=1S/C19H27FN6O2/c1-4-16-17(10-26(3)25-16)23-19-21-9-15(20)18(24-19)28-11-13-5-7-14(8-6-13)22-12(2)27/h9-10,13-14H,4-8,11H2,1-3H3,(H,22,27)(H,21,23,24)
InChIKeyYIYNZFVSUWWQLJ-UHFFFAOYSA-N
XLogP2.73
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide (CID 165385538) is N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is CCc1nn(C)cc1Nc1ncc(F)c(OCC2CCC(NC(C)=O)CC2)n1.
What is the InChIKey of N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
The InChIKey is YIYNZFVSUWWQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O2/c1-4-16-17(10-26(3)25-16)23-19-21-9-15(20)18(24-19)28-11-13-5-7-14(8-6-13)22-12(2)27/h9-10,13-14H,4-8,11H2,1-3H3,(H,22,27)(H,21,23,24).
What are the key properties of N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide?
N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5-fluoropyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide is sourced from PubChem (CID 165385538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).